SCHEMBL8032963

SCHEMBL8032963

Cc1nc(Cl)c(N)c(Nc2c(Br)cccc2C(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.36
RIPK1 Q13546 1/20 0.35
KMT2A Q03164 3/20 0.34
WDR5 P61964 1/20 0.34
PIK3CD O00329 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
EGFR P00533 3/20 0.31
PDGFRB P09619 1/20 0.31
LCK P06239 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CXCL8 P10145 1/20 0.30
KDR P35968 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6094653 0.72 WDR5 (0.40) CRHR1KMT2AWDR5
SCHEMBL4325142 0.69 CRHR1 (0.36) CRHR1KMT2AWDR5EGFRKDR
SCHEMBL13578880 0.69 KMT2A (0.43) CRHR1KMT2AWDR5MEN1EGFR
Hydrochloric Acid SCHEMBL4324878 0.69 CRHR1 (0.36) CRHR1KMT2AWDR5EGFRKDR
SCHEMBL24274758 0.67 LMNA (0.35) KMT2ALMNAEGFRPDGFRBLCK
SCHEMBL31115519 0.67 SOS1 (0.50)
SCHEMBL5236485 0.66 KDR (0.51) KMT2AWDR5LMNAMEN1EGFR
SCHEMBL31723401 0.66 EGFR (0.38) KMT2ALMNAEGFRSMN1; SMN2CXCL8
SCHEMBL6094657 0.66 NR1I2 (0.36) KMT2AWDR5LMNAMEN1EGFR
SCHEMBL29931161 0.65 PDE10A (0.40) KMT2AWDR5LMNAMEN1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed